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Home > Other Heterocycles > 127302-48-1
127302-48-1 | 9-Oxabicyclo[6.1.0]non-3-yne
CAS No: 127302-48-1 Catalog No: AG000WW6 MDL No:
Product Description
Catalog Number:
AG000WW6
Chemical Name:
9-Oxabicyclo[6.1.0]non-3-yne
CAS Number:
127302-48-1
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
IUPAC Name:
9-oxabicyclo[6.1.0]non-3-yne
InChI:
InChI=1S/C8H10O/c1-2-4-6-8-7(9-8)5-3-1/h7-8H,1,3,5-6H2
InChI Key:
SIHVXVRUTWJSKP-UHFFFAOYSA-N
SMILES:
C1C#CCC2C(CC1)O2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.073g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.167g/mol
Monoisotopic Mass:
122.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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